AV18240
1824349-18-9 | 2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18240
ChemicalName
2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)thiazole-4-carboxylic acid
CasNumber
1824349-18-9
MolecularFormula
C13H18N2O4S
MolecularWeight
298.358
MdlNumber
MFCD24532481
Smiles
O=C(N1CCCC1c1scc(n1)C(=O)O)OC(C)(C)C
Complexity
396
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AV18240
ChemicalName: 2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)thiazole-4-carboxylic acid
CasNumber: 1824349-18-9
MolecularFormula: C13H18N2O4S
MolecularWeight: 298.358
MdlNumber: MFCD24532481
Smiles: O=C(N1CCCC1c1scc(n1)C(=O)O)OC(C)(C)C
Complexity: 396
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AV18240
ChemicalName:
2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)thiazole-4-carboxylic acid
CasNumber:
1824349-18-9
MolecularFormula:
C13H18N2O4S
MolecularWeight:
298.358
MdlNumber:
MFCD24532481
Smiles:
O=C(N1CCCC1c1scc(n1)C(=O)O)OC(C)(C)C
Complexity:
396
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: AV18241
ChemicalName: Methyl 2-chloro-6-methoxy-3-nitrobenzoate
CasNumber: 55776-21-1
MolecularFormula: C9H8ClNO5
MolecularWeight: 245.6165
MdlNumber: MFCD30185868
Smiles: COC(=O)c1c(OC)ccc(c1Cl)[N+](=O)[O-]
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AV18241
ChemicalName:
Methyl 2-chloro-6-methoxy-3-nitrobenzoate
CasNumber:
55776-21-1
MolecularFormula:
C9H8ClNO5
MolecularWeight:
245.6165
MdlNumber:
MFCD30185868
Smiles:
COC(=O)c1c(OC)ccc(c1Cl)[N+](=O)[O-]
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: AV18242
ChemicalName: tert-Butyl 4-(1-benzyl-1H-imidazol-2-yl)-4-hydroxypiperidine-1-carboxylate
CasNumber: 1823794-46-2
MolecularFormula: C20H27N3O3
MolecularWeight: 357.4467
MdlNumber: MFCD27997367
Smiles: O=C(N1CCC(CC1)(O)c1nccn1Cc1ccccc1)OC(C)(C)C
Complexity: 477
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
AV18242
ChemicalName:
tert-Butyl 4-(1-benzyl-1H-imidazol-2-yl)-4-hydroxypiperidine-1-carboxylate
CasNumber:
1823794-46-2
MolecularFormula:
C20H27N3O3
MolecularWeight:
357.4467
MdlNumber:
MFCD27997367
Smiles:
O=C(N1CCC(CC1)(O)c1nccn1Cc1ccccc1)OC(C)(C)C
Complexity:
477
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
2
CatalogNumber: AV18243
ChemicalName: 2-Chloro-1-(chloromethyl)-3,4-dimethoxybenzene
CasNumber: 93983-14-3
MolecularFormula: C9H10Cl2O2
MolecularWeight: 221.0805
MdlNumber: MFCD18850385
Smiles: COc1c(OC)ccc(c1Cl)CCl
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AV18243
ChemicalName:
2-Chloro-1-(chloromethyl)-3,4-dimethoxybenzene
CasNumber:
93983-14-3
MolecularFormula:
C9H10Cl2O2
MolecularWeight:
221.0805
MdlNumber:
MFCD18850385
Smiles:
COc1c(OC)ccc(c1Cl)CCl
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9